2-(3,8-dimethoxy-2H-chromen-2-yl)-N,N-dimethylethanamine

C15H21NO3 — CID 175925035

IUPAC2-(3,8-dimethoxy-2H-chromen-2-yl)-N,N-dimethylethanamine
SMILESCOC1=Cc2cccc(OC)c2OC1CCN(C)C
InChIInChI=1S/C15H21NO3/c1-16(2)9-8-12-14(18-4)10-11-6-5-7-13(17-3)15(11)19-12/h5-7,10,12H,8-9H2,1-4H3
InChIKeySOVNPWZNQZPJAF-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.40
Rot. Bonds5

About 2-(3,8-dimethoxy-2H-chromen-2-yl)-N,N-dimethylethanamine

2-(3,8-dimethoxy-2H-chromen-2-yl)-N,N-dimethylethanamine (PubChem CID 175925035) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3,8-dimethoxy-2H-chromen-2-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3,8-dimethoxy-2H-chromen-2-yl)-N,N-dimethylethanamine
PubChem CID175925035
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(3,8-dimethoxy-2H-chromen-2-yl)-N,N-dimethylethanamine
SMILESCOC1=Cc2cccc(OC)c2OC1CCN(C)C
InChIInChI=1S/C15H21NO3/c1-16(2)9-8-12-14(18-4)10-11-6-5-7-13(17-3)15(11)19-12/h5-7,10,12H,8-9H2,1-4H3
InChIKeySOVNPWZNQZPJAF-UHFFFAOYSA-N
XLogP2.40
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,8-dimethoxy-2H-chromen-2-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(3,8-dimethoxy-2H-chromen-2-yl)-N,N-dimethylethanamine (CID 175925035) is 2-(3,8-dimethoxy-2H-chromen-2-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3,8-dimethoxy-2H-chromen-2-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3,8-dimethoxy-2H-chromen-2-yl)-N,N-dimethylethanamine is COC1=Cc2cccc(OC)c2OC1CCN(C)C.
What is the InChIKey of 2-(3,8-dimethoxy-2H-chromen-2-yl)-N,N-dimethylethanamine?
The InChIKey is SOVNPWZNQZPJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16(2)9-8-12-14(18-4)10-11-6-5-7-13(17-3)15(11)19-12/h5-7,10,12H,8-9H2,1-4H3.
What are the key properties of 2-(3,8-dimethoxy-2H-chromen-2-yl)-N,N-dimethylethanamine?
2-(3,8-dimethoxy-2H-chromen-2-yl)-N,N-dimethylethanamine has a molecular weight of 263.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,8-dimethoxy-2H-chromen-2-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 175925035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).